N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine

C14H13ClN4O2 — CID 4727079

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1ccc(-c2ccc(CNn3cnnc3)o2)cc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-20-14-4-2-10(6-12(14)15)13-5-3-11(21-13)7-18-19-8-16-17-9-19/h2-6,8-9,18H,7H2,1H3
InChIKeyYUXNZTWSTUPJFQ-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.94
Rot. Bonds5

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine (PubChem CID 4727079) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
PubChem CID4727079
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1ccc(-c2ccc(CNn3cnnc3)o2)cc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-20-14-4-2-10(6-12(14)15)13-5-3-11(21-13)7-18-19-8-16-17-9-19/h2-6,8-9,18H,7H2,1H3
InChIKeyYUXNZTWSTUPJFQ-UHFFFAOYSA-N
XLogP2.94
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 163327985

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine (CID 4727079) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine is COc1ccc(-c2ccc(CNn3cnnc3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine?
The InChIKey is YUXNZTWSTUPJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-20-14-4-2-10(6-12(14)15)13-5-3-11(21-13)7-18-19-8-16-17-9-19/h2-6,8-9,18H,7H2,1H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine has a molecular weight of 304.74 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 4727079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).